diphenyl-(1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide

Systemtic Name: diphenyl-(1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide Openeye Name: diphenyl-(1-propylquinuclidin-1-ium-3-yl)methanol iodide CAS Name: diphenyl-(1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide IUPAC Name: diphenyl-(1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide Traditional Name: diphenyl-(1-propylquinuclidin-1-ium-3-yl)methanol iodide Formula: C23H30INO MolecularWeight: 463.39487

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-]

Isomeric SMILES

CCC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-]

InChI

InChI=1S/C23H30NO.HI/c1-2-15-24-16-13-19(14-17-24)22(18-24)23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,19,22,25H,2,13-18H2,1H3;1H/q+1;/p-1